Geometry & MOs

Info

ID:	121760
PubChem CID:	50780514
Reduced:	O2N5H23C24 (1)
Stoich.:	A2B5C23D24 (1)
Weight, g/mol:	439.305959
ΔH_f, kcal/mol:	67.73
Dipole, Da:	6.23
IP(EA), eV:	-8.68(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-[6-(dimethylamino)pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)NC(=O)C2=CN(N=C2C)C3=CC=C(C=C3)C4=NOC(=N4)C5CC5)C

DOS

IR

Vibrations